N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine

C16H19N3S — CID 64626428

IUPACN-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1Sc1cnccn1
InChIInChI=1S/C16H19N3S/c1-2-7-19-16-13-6-4-3-5-12(13)10-14(16)20-15-11-17-8-9-18-15/h3-6,8-9,11,14,16,19H,2,7,10H2,1H3
InChIKeyJKZGCBQQDOJVHY-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.23
Rot. Bonds5

About N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine

N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64626428) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64626428
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1Sc1cnccn1
InChIInChI=1S/C16H19N3S/c1-2-7-19-16-13-6-4-3-5-12(13)10-14(16)20-15-11-17-8-9-18-15/h3-6,8-9,11,14,16,19H,2,7,10H2,1H3
InChIKeyJKZGCBQQDOJVHY-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66128150
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 64611334
N-ethyl-2-(4-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64619862
6-(1H-imidazol-2-ylsulfanyl)-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107784035
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64627978
2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 104799962
N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64620538
6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79369397
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64650430
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64650692
2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114272345

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine (CID 64626428) is N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2ccccc2CC1Sc1cnccn1.
What is the InChIKey of N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JKZGCBQQDOJVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-7-19-16-13-6-4-3-5-12(13)10-14(16)20-15-11-17-8-9-18-15/h3-6,8-9,11,14,16,19H,2,7,10H2,1H3.
What are the key properties of N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine?
N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64626428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).